Molecule FYI-1001130

Home > Molecule

A

Molecule Summary:

ID: FYI-1001130
SMILES: CN(C)S(=O)(=O)N1C2=C(C=C(Cl)C=C2)C2=C1N=C1C=CC=CC1=N2

Received at FYIcenter.com on: 2022-01-25

Molecule ID: FYI-1001130 Edit

Molecule Structure SMILES String: CN(C)S(=O)(=O)N1C2=C(C=C(Cl)C=C2)C2=C1N=C1C=CC=CC1=N2

Download SDF Download SVG Structure in 2D SDF:

FYI-1001130
FYIcenter.com

 24 27  0  0  0  0  0  0  0  0999 V2000
    9.0245    7.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8121    6.4272    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8121    5.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5996    7.1272    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2996    8.3396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8996    8.3396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3872    6.4272    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1083    6.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1715    5.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8021    6.2474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3694    7.5788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.8699    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    8.6192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6757    8.3281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8715    4.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2409    5.0349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1776    3.9945    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7450    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6818    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2491    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8797    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9430    1.0405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3757    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4389    3.4124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  2  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16 15  2  0  0  0  0
 16  7  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 23 18  1  0  0  0  0
 24 23  2  0  0  0  0
 24 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001130-3D
FYIcenter.com

 37 40  0  0  0  0  0  0  0  0999 V2000
    2.7598    0.4933    2.4846 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4361    1.6059    1.5760 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4180    2.9208    2.2315 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0773    1.5104   -0.0012 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7198    0.2190   -0.5507 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6908    2.7174   -0.7082 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7836    1.5526    0.0569 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5559    2.7060    0.1014 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8935    2.2757    0.1113 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9299    3.2328    0.0884 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6063    4.5894    0.0656 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8647    5.7634    0.0206 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.2804    5.0065    0.0737 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2350    4.0766    0.0932 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8810    0.8535    0.1445 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5599    0.4307    0.1830 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1758   -0.8584    0.2822 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1947   -1.7289    0.2336 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8957   -3.0852    0.2253 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8961   -4.0536    0.1408 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2243   -3.6578    0.0765 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5391   -2.2971    0.0960 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5516   -1.3203    0.1665 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9164   -0.0258    0.1549 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0659    0.4977    3.3319 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7788    0.5937    2.8703 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6500   -0.4732    1.9862 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6561    2.9209    3.0189 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1369    3.7137    1.5328 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3872    3.1543    2.6779 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9673    2.9073    0.0829 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0425    6.0682    0.0489 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2083    4.4330    0.0721 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8530   -3.3944    0.2641 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6325   -5.1082    0.1166 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0149   -4.4009    0.0034 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5816   -1.9914    0.0386 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  2  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  2  0  0  0  0
 15 24  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 19 20  2  0  0  0  0
 19 34  1  0  0  0  0
 20 21  1  0  0  0  0
 20 35  1  0  0  0  0
 21 22  2  0  0  0  0
 21 36  1  0  0  0  0
 22 23  1  0  0  0  0
 22 37  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-02-19, 1479👍, 0💬